Geometry & MOs

Info

ID:	177399
PubChem CID:	76180868
Reduced:	ClN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	9.01
IP(EA), eV:	-9.46(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,5-dimethylphenoxy)-1-hydroxyethylidene]-4-methyl-2,6-dioxo-1-prop-2-enylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC(=C2C(=C(C(=O)N(C2=O)CC=C)C#N)C)O

DOS

IR

Vibrations